N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

C19H19N3O3 — CID 47069226

IUPACN-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
SMILESO=C(NCCn1cnc2ccccc21)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C19H19N3O3/c23-19(14-6-7-17-18(12-14)25-11-3-10-24-17)20-8-9-22-13-21-15-4-1-2-5-16(15)22/h1-2,4-7,12-13H,3,8-11H2,(H,20,23)
InChIKeySDGIHAZORDOXSB-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide (PubChem CID 47069226) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
PubChem CID47069226
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
SMILESO=C(NCCn1cnc2ccccc21)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C19H19N3O3/c23-19(14-6-7-17-18(12-14)25-11-3-10-24-17)20-8-9-22-13-21-15-4-1-2-5-16(15)22/h1-2,4-7,12-13H,3,8-11H2,(H,20,23)
InChIKeySDGIHAZORDOXSB-UHFFFAOYSA-N
XLogP2.63
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-indol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 71703482
2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine;hydroiodide
CID 119118210
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3621863
N-butyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51180619
N-[2-(benzimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 51091236
3-(benzimidazol-1-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propanamide
CID 17484178
N-[2-(2-methylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18114578
N-[3-(benzimidazol-1-yl)propyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide
CID 24619947
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795256
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 64532197
N-[3-(benzimidazol-1-yl)propyl]-4-methylsulfonylbenzamide
CID 51221971
N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide (CID 47069226) is N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is O=C(NCCn1cnc2ccccc21)c1ccc2c(c1)OCCCO2.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The InChIKey is SDGIHAZORDOXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-19(14-6-7-17-18(12-14)25-11-3-10-24-17)20-8-9-22-13-21-15-4-1-2-5-16(15)22/h1-2,4-7,12-13H,3,8-11H2,(H,20,23).
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is sourced from PubChem (CID 47069226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).